MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005917

BUTYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005917
RECORD_TITLE: BUTYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: BUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY JSLCOZYBKYHZNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9073888

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0abl-9000000000-c63b585334d9efe57448
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.15 12
  29 12.03 120
  41 21.78 218
  42 3.72 37
  43 64.76 648
  44 2.29 23
  55 6.02 60
  56 66.76 668
  57 47.85 479
  58 2.01 20
  70 1.15 12
  71 99.99 999
  72 4.87 49
  73 4.3 43
  88 4.87 49
  89 97.13 971
  90 4.58 46
  101 7.74 77
//